Bonds

class sknano.core.atoms.mixins.Bonds(topolist=None, parent=None)[source] [edit on github][source]

Bases: sknano.core.atoms.mixins.TopologyCollection

Base class for collection of atom Bonds.

Parameters:
  • topolist ({None, sequence, Bonds}, optional) – if not None, then a list of Bond objects
  • parent (Parent Molecule, if any.) –

Attributes

Nbonds Number of Bonds in Bonds.
Ntypes Number of unique Topology.types.
atom_ids list of atom_ids.
bonds ndarray of bonds.
fmtstr Format string.
ids list of ids.
lengths An alias for Bonds.bonds.
mean An alias for TopologyCollection.mean_measure.
mean_bond Mean bond length.
mean_length An alias for Bonds.mean_bond.
mean_measure Mean measure.
measures ndarray of measures.
parent Parent Molecule, if any.
statistics Bond stats.
strains ndarray of strains.
types list of types.
unique Return new TopologyCollection object containing the set of unique Topologys.
unit_vectors ndarray of unit_vectors.
vectors ndarray of vectors.

Methods

append(item)
clear()
compute_strains(reference) Return ndarray of topology measure strains.
copy()
count(item)
extend(other)
index(item, *args)
insert(i, item)
pop([i])
remove(item)
reverse()
sort([key, reverse])
todict() Return dict of constructor parameters.